CID 3079490

N-methyl-n-(5-(2-biphenylyloxy)pentyl)amine hydrochloride

Structural Information

Molecular Formula
C18H23NO
SMILES
CNCCCCCOC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-19-14-8-3-9-15-20-18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3
InChIKey
QBBDCYHPNWUKOX-UHFFFAOYSA-N
Compound name
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 165.0
[M+Na]+ 292.167198 169.9
[M-H]- 268.170704 170.8
[M+NH4]+ 287.211803 180.9
[M+K]+ 308.141138 165.5
[M+H-H2O]+ 252.175240 156.5
[M+HCOO]- 314.176181 189.3
[M+CH3COO]- 328.191831 202.1
[M+Na-2H]- 290.152646 170.6
[M]+ 269.17743142 166.6
[M]- 269.17852858 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.